Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97915 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 93.765, 93.765, 150.344 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.600 - 2.950 |
Rwork | 0.305 |
R-free | 0.32370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1i78 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.743 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (V1.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.890 | 3.130 |
High resolution limit [Å] | 2.950 | 2.950 |
Rmeas | 0.170 | |
Rpim | 0.038 | 0.634 |
Number of reflections | 16591 | 2635 |
<I/σ(I)> | 13.4 | |
Completeness [%] | 99.6 | |
Redundancy | 19.8 | |
CC(1/2) | 0.999 | 0.586 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | MPD |